N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C16H33FN2O3 — CID 138460814

IUPACN-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)NCCCOCC(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C16H33FN2O3/c1-15(2,3)19-8-7-9-21-11-13(17)10-18-14(20)12-22-16(4,5)6/h13,19H,7-12H2,1-6H3,(H,18,20)
InChIKeyLEYYZGFIWIZCJK-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.05
Rot. Bonds10

About N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 138460814) has the molecular formula C16H33FN2O3 and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID138460814
Molecular FormulaC16H33FN2O3
Molecular Weight320.45 g/mol
Exact Mass320.25
IUPAC NameN-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)NCCCOCC(F)CNC(=O)COC(C)(C)C
InChIInChI=1S/C16H33FN2O3/c1-15(2,3)19-8-7-9-21-11-13(17)10-18-14(20)12-22-16(4,5)6/h13,19H,7-12H2,1-6H3,(H,18,20)
InChIKeyLEYYZGFIWIZCJK-UHFFFAOYSA-N
XLogP2.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 138460814) is N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)NCCCOCC(F)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is LEYYZGFIWIZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O3/c1-15(2,3)19-8-7-9-21-11-13(17)10-18-14(20)12-22-16(4,5)6/h13,19H,7-12H2,1-6H3,(H,18,20).
What are the key properties of N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 320.45 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 138460814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).